N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide

Systemtic Name: N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C20H21N7O4 MolecularWeight: 423.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O4/c1-2-3-12-31-16-6-4-15(5-7-16)24-18-17(27(29)30)19(23-13-22-18)25-26-20(28)14-8-10-21-11-9-14/h4-11,13H,2-3,12H2,1H3,(H,26,28)(H2,22,23,24,25)